2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile

C7H10N4 — CID 82881600

IUPAC2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
SMILESCn1ccc(CNCC#N)n1
InChIInChI=1S/C7H10N4/c1-11-5-2-7(10-11)6-9-4-3-8/h2,5,9H,4,6H2,1H3
InChIKeyHXCIULAUZZBPAL-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.03
Rot. Bonds3

About 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile

2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile (PubChem CID 82881600) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
PubChem CID82881600
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
SMILESCn1ccc(CNCC#N)n1
InChIInChI=1S/C7H10N4/c1-11-5-2-7(10-11)6-9-4-3-8/h2,5,9H,4,6H2,1H3
InChIKeyHXCIULAUZZBPAL-UHFFFAOYSA-N
XLogP0.03
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
CID 82881594
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 106844741
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
2-methoxy-5-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 115320187
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile (CID 82881600) is 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile is Cn1ccc(CNCC#N)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile?
The InChIKey is HXCIULAUZZBPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-11-5-2-7(10-11)6-9-4-3-8/h2,5,9H,4,6H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile?
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile is sourced from PubChem (CID 82881600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).